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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP002246

(1E,19Z,21E)-2,10,18-tris(4-hydroxyphenyl)-6,14,22-trimethoxytetracyclo[17.5.1.13,7.111,15]heptacosa-1(25),3,5,7(27),11,13,15(26),19,21-nonaene-4,12,20-triol

Formula: C48H48O9  |  Mol. Weight: 768.90 g/mol

IUPAC: (1E,19Z,21E)-2,10,18-tris(4-hydroxyphenyl)-6,14,22-trimethoxytetracyclo[17.5.1.13,7.111,15]heptacosa-1(25),3,5,7(27),11,13,15(26),19,21-nonaene-4,12,20-triol

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Overview

Molecular Formula C48H48O9
Molecular Weight 768.90 g/mol
Canonical SMILES COC1=CC(=C2C=C(CC1)C(C3=C(C=C(C(=C3)CCC(C4=C(C=C(C(=C4)CCC2C5=CC=C(C=C5)O)OC)O)C6=CC=C(C=C6)O)OC)O)C7=CC=C(C=C7)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy